[gmx-users] .coordinate(gro) file
rose rahmani
rose.rhmn93 at gmail.com
Sun Nov 5 21:33:42 CET 2017
Hi
I have structure.gro file
32
.
.
.
0ZnS S29 29 0.000 0.191 2.029
0ZnS S30 30 0.000 0.574 2.029
0ZnS Zn31 31 0.000 0.000 2.164
0ZnS Zn32 32 0.000 0.383 2.164
0.00000 0.00000 0.00000
and AA.gro
PRODRG COORDS
12
1PDB O 1 0.147 2.267 0.468
1PDB C 2 0.182 2.373 0.415
1PDB OC 3 0.151 2.486 0.453
1PDB CA 4 0.318 2.368 0.351
1PDB N 5 0.390 2.383 0.475
1PDB H2 6 0.368 2.471 0.516
1PDB H3 7 0.488 2.379 0.457
1PDB H1 8 0.364 2.309 0.538
1PDB CB 9 0.343 2.234 0.282
1PDB CG2 10 0.255 2.218 0.157
1PDB OG1 11 0.480 2.228 0.243
1PDB HG1 12 0.499 2.141 0.197
0.53100 0.53100 0.53100
and i want to make one coordinate file for both of them(like
protein-ligand tutorial)
but when i copy structure.gro to the end of AA.gro to make>>>complex.gro, i
cant check it in any viewer like VMD,it seeems that complex.gro is not
correctly modified,could you please tell me what is wrong?!
Thank you
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